SCHEMBL4428508

SCHEMBL4428508

O=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HTR1A P08908 4/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 1/20 0.48
HTR7 P34969 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4420522 0.93 HTR1A (0.51) MAPTHTR1ACA1CA2CA7
SCHEMBL4417691 0.92 MAPT (0.63) MAPTHTR1AHTR7POLBALDH1A1
SCHEMBL4417598 0.91 DRD4 (0.53) MAPTHTR1ACA1CA2CA7
SCHEMBL4419772 0.88 TSHR (0.57) MAPTHTR1ACA1CA2CA7
SCHEMBL4417739 0.87 POLB (0.54) MAPTHTR1APOLBALDH1A1TSHR
SCHEMBL4420419 0.86 HSD17B10 (0.50) MAPTHTR1ACA1CA2CA7
SCHEMBL4416054 0.85 LMNA (0.53) MAPTCA1CA2CA7CA9
SCHEMBL4423539 0.85 HTR7 (0.51) HTR7POLBHSD17B10KMT2A
SCHEMBL4417215 0.83 KDM5A (0.46) HTR1AHTR7POLBALDH1A1TSHR
SCHEMBL4419298 0.83 ALDH1A1 (0.51) HTR1ACA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 MAPT 2493/4885HTR1A 1240/4885CA1 1056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.